(E)-N-[2-(4-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID: 7958303
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| Compound Synonyms | CHEMBL4442837, Z30632740 |
|---|---|
| Topological Polar Surface Area | 66.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 447.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-N-[2-(4-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C21H25NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SBUXJGHRQRTMGD-JXMROGBWSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -4.463 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.289 |
| Compound Name | (E)-N-[2-(4-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 371.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 371.173 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 371.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.290673488888889 |
| Inchi | InChI=1S/C21H25NO5/c1-24-17-8-5-15(6-9-17)11-12-22-20(23)10-7-16-13-18(25-2)21(27-4)19(14-16)26-3/h5-10,13-14H,11-12H2,1-4H3,(H,22,23)/b10-7+ |
| Smiles | COC1=CC=C(C=C1)CCNC(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Tirucalli (Plant) Rel Props:Source_db:cmaup_ingredients